Nitric Acid

Nitric Acid

SCHEMBL2290191

C[n+]1c2ccccc2c(-c2c3ccccc3[n+](C)c3ccccc23)c2ccccc21.Cc1cccc2nc3ccccc3cc12.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 2/20 0.38
ACHE P22303 4/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 3/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
PTBP1 P26599 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nitric Acid SCHEMBL27968557 0.85 KMT2A (0.49) KDM4EKMT2AMEN1RAB9AACHE
Nitric Acid SCHEMBL3961222 0.85 KMT2A (0.49) KDM4EKMT2AMEN1RAB9AACHE
SCHEMBL9696995 0.77 ALDH1A1 (0.40) KDM4ERAB9AACHEALDH1A1MAPT
Nitric Acid SCHEMBL29563050 0.77 ACHE (0.55) KDM4ERAB9AACHEMAPTNPC1
SCHEMBL29562542 0.74 ACHE (0.59) KDM4ERAB9AACHEMAPTNPC1
SCHEMBL29240 0.74 ACHE (0.59) KDM4ERAB9AACHEMAPTNPC1
SCHEMBL291182 0.74 ALDH1A1 (0.60) KDM4EKMT2ARAB9AACHEALDH1A1
SCHEMBL29376451 0.74 ALDH1A1 (0.60) KDM4EKMT2ARAB9AACHEALDH1A1
Nitric Acid SCHEMBL3888885 0.72 KMT2A (0.42) KDM4EKMT2AMEN1RAB9AACHE
Nitric Acid SCHEMBL9696991 0.72 KDM4E (0.48) KDM4EKMT2AMEN1RAB9AACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201512-A1 Biomarkers Indicative of Colon Cancer and Metastasis and Diagnosis and Screening Therapeutics Using the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2011-08-18 US disclosed